General Information of the Compound
| Compound ID |
CP0873148
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| Compound Name |
1-[3-(4-Chloro-3-methylphenoxy)propyl]-4-phenylpiperazine dihydrochloride
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| Structure |
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| Formula |
C20H27Cl3N2O
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| Molecular Weight |
417.808
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| Canonical SMILES |
Cc1cc(OCCCN2CCN(c3ccccc3)CC2)ccc1Cl.Cl.Cl
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| InChI |
InChI=1S/C20H25ClN2O.2ClH/c1-17-16-19(8-9-20(17)21)24-15-5-10-22-11-13-23(14-12-22)18-6-3-2-4-7-18;;/h2-4,6-9,16H,5,10-15H2,1H3;2*1H
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| InChIKey |
RTHQQMXOILOELC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01005, D(2) dopamine receptor